(4-dodecoxyphenyl) 2,6-bis(fluoranyl)-4-(4-pentylcyclohexyl)benzoate

Systemtic Name: (4-dodecoxyphenyl) 2,6-bis(fluoranyl)-4-(4-pentylcyclohexyl)benzoate Openeye Name: (4-dodecoxyphenyl) 2,6-difluoro-4-(4-pentylcyclohexyl)benzoate CAS Name: 2,6-difluoro-4-(4-pentylcyclohexyl)benzoic acid (4-dodecoxyphenyl) ester IUPAC Name: (4-dodecoxyphenyl) 2,6-difluoro-4-(4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amylcyclohexyl)-2,6-difluoro-benzoic acid (4-lauryloxyphenyl) ester Formula: C36H52F2O3 MolecularWeight: 570.793086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2F)C3CCC(CC3)CCCCC)F

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2F)C3CCC(CC3)CCCCC)F

InChI

InChI=1S/C36H52F2O3/c1-3-5-7-8-9-10-11-12-13-15-25-40-31-21-23-32(24-22-31)41-36(39)35-33(37)26-30(27-34(35)38)29-19-17-28(18-20-29)16-14-6-4-2/h21-24,26-29H,3-20,25H2,1-2H3